ethyl 2-[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl]oxyacetate

C22H23NO5 — CID 1206968

IUPACethyl 2-[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl]oxyacetate
SMILESCCOC(=O)COc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccc(OC)cc1
InChIInChI=1S/C22H23NO5/c1-5-27-21(25)13-28-18-10-11-20-19(12-18)22(15(3)24)14(2)23(20)16-6-8-17(26-4)9-7-16/h6-12H,5,13H2,1-4H3
InChIKeyAJCVEILSKMPNLL-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.09
Rot. Bonds7

About ethyl 2-[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl]oxyacetate

ethyl 2-[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl]oxyacetate (PubChem CID 1206968) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is ethyl 2-[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl]oxyacetate
PubChem CID1206968
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Nameethyl 2-[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl]oxyacetate
SMILESCCOC(=O)COc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccc(OC)cc1
InChIInChI=1S/C22H23NO5/c1-5-27-21(25)13-28-18-10-11-20-19(12-18)22(15(3)24)14(2)23(20)16-6-8-17(26-4)9-7-16/h6-12H,5,13H2,1-4H3
InChIKeyAJCVEILSKMPNLL-UHFFFAOYSA-N
XLogP4.09
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl]oxyacetate?
The IUPAC name of ethyl 2-[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl]oxyacetate (CID 1206968) is ethyl 2-[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl]oxyacetate?
The canonical SMILES for ethyl 2-[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl]oxyacetate is CCOC(=O)COc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl]oxyacetate?
The InChIKey is AJCVEILSKMPNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-5-27-21(25)13-28-18-10-11-20-19(12-18)22(15(3)24)14(2)23(20)16-6-8-17(26-4)9-7-16/h6-12H,5,13H2,1-4H3.
What are the key properties of ethyl 2-[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl]oxyacetate?
ethyl 2-[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl]oxyacetate has a molecular weight of 381.43 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl]oxyacetate is sourced from PubChem (CID 1206968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).